| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:02 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155914 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H42NO6+ |
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| Molecular Mass | 452.3007 |
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| SMILES | C[N+](C)(C)C(Cc1ccc(O)c(O)c1)OC(=O)CCCCCCCCCCCCC(=O)O |
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| InChI Key | SKHPDDGMDSFJNW-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidtetraalkylammonium salt1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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